First-principles study on ferroelectricity at PbTiO3 surface steps

Journal of Physics Condensed Matter

Volumn 22, Issue 35, 2010, Pages

  Shimada, T ^a   Tomoda, S ^a   Kitamura, T ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COMPRESSIVE STRAIN; DENSITY FUNCTIONAL THEORY CALCULATIONS; DEPOLARIZING FIELDS; ELECTRON TRANSFER; FERROELECTRIC DISTORTION; FIRST-PRINCIPLES STUDY; FORMATION MECHANISM; LOW COORDINATION; POLAR AXIS; POLARIZATION DIRECTION; POLYDOMAIN STRUCTURES; SPONTANEOUS POLARIZATIONS; STEP EDGE; SURFACE STEPS;

CEMENTS; DENSITY FUNCTIONAL THEORY; DOMAIN WALLS; FERROELECTRICITY; LEAD; LEAD OXIDE; POLARIZATION; TENSILE STRAIN;

SURFACE STRUCTURE;

EID: 77956986118     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/35/355901     Document Type: Article

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